2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide

C18H18FN3O3 — CID 37383481

IUPAC2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide
SMILESCc1cc(F)c2c(c1)CCCN2CC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H18FN3O3/c1-12-9-13-5-4-8-21(18(13)14(19)10-12)11-17(23)20-15-6-2-3-7-16(15)22(24)25/h2-3,6-7,9-10H,4-5,8,11H2,1H3,(H,20,23)
InChIKeyHLZPXJRWVDECIC-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.43
Rot. Bonds4

About 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide

2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide (PubChem CID 37383481) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide
PubChem CID37383481
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide
SMILESCc1cc(F)c2c(c1)CCCN2CC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H18FN3O3/c1-12-9-13-5-4-8-21(18(13)14(19)10-12)11-17(23)20-15-6-2-3-7-16(15)22(24)25/h2-3,6-7,9-10H,4-5,8,11H2,1H3,(H,20,23)
InChIKeyHLZPXJRWVDECIC-UHFFFAOYSA-N
XLogP3.43
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 37383606
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 37383592
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 37383510
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 34008890
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 37383476
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 34008980
N-(2-cyanophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8593510
N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide
CID 43065952
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 22194967
2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
CID 22199010
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 37383582
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 37383751

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide (CID 37383481) is 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide is Cc1cc(F)c2c(c1)CCCN2CC(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide?
The InChIKey is HLZPXJRWVDECIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-12-9-13-5-4-8-21(18(13)14(19)10-12)11-17(23)20-15-6-2-3-7-16(15)22(24)25/h2-3,6-7,9-10H,4-5,8,11H2,1H3,(H,20,23).
What are the key properties of 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide?
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide has a molecular weight of 343.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 37383481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).